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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The study result is based on a well documented QSAR with the test compound fitting well within the applicability domain of the QSAR and the QSAR is used for a well defined endpoint.
Justification for type of information:
QSAR prediction
Qualifier:
according to guideline
Guideline:
other: Meylan, W.M., Howard, P.H., Boethling, R.S. et. al.; Improved method for estimating bioconcentration bioaccumulation factor from octanol/water partition coefficient. Environ. Toxicol. Chem. 18(4): 664 - 672, 1999
Deviations:
not applicable
Principles of method if other than guideline:
The bioconcentration factor is based on an estimation method, where compounds are classified as ionic or non-ionic. Subsequently for non)-ionic substances a division is made, based on the log Kow. For substances with a log Kow >1; 1 -7 and >7 different regression models were developed with additional correction factors based on the structure of the compound.
GLP compliance:
no
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
not applicable
Radiolabelling:
no
Details on sampling:
not applicable
Vehicle:
no
Details on preparation of test solutions, spiked fish food or sediment:
not applicable
Details on test organisms:
not applicable
Test type:
other: QSAR
Water / sediment media type:
natural water: freshwater
Hardness:
not applicable
Test temperature:
the QSAR is valid for ambient temperatures
pH:
not applicable
Dissolved oxygen:
not applicable
TOC:
not applicable
Salinity:
not applicable
Details on test conditions:
not applicable
Nominal and measured concentrations:
not applicable
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
The approach was described in: Meylan, W.M., Howard, P.H., Boethling, R.S. et. al.; Improved method for estimating bioconcentration bioaccumulation factor from octanol/water partition coefficient. Environ. Toxicol. Chem. 18(4): 664 - 672, 1999
Type:
BCF
Value:
41.6 L/kg
Basis:
other: wet weight
Remarks on result:
other: QSAR
Details on kinetic parameters:
not applicable
Metabolites:
not applicable
Results with reference substance (positive control):
not applicable
Details on results:
not applicable
Reported statistics:
not applicable

log BCF of TMP was estimated to be 1.62 (BCF = 41.61 L/kg wet wt)

Validity criteria fulfilled:
yes
Conclusions:
The Log BCF of TMP PE was estimated to be 1.62 (BCF = 41.61 L/kg wet wt)
Executive summary:

Log BCF of TMP PE was estimated using a QSAR and equalled 1.62. The QSAR is well documented, with a clear regression model and used for a well defined endpoint. TMP PE falls well within the applicability domain of the QSAR.

Description of key information

Log BCF of TMP pelargonate was estimated using a QSAR and equalled 1.62.

Key value for chemical safety assessment

BCF (aquatic species):
41.61 L/kg ww

Additional information

The Log BCF of TMP pelargonate was estimated using a QSAR and equalled 1.62 (41.61 L/kg wet weight). The QSAR is well documented, with a clear regression model and used for a well defined endpoint. TMP pelargonate falls well within the applicability domain of the QSAR.